(3E)-7-dodecoxy-5-(4-dodecoxyphenyl)-3-(oxidanylmethylidene)-4H-1,4-benzodiazepin-2-one

Systemtic Name: (3E)-7-dodecoxy-5-(4-dodecoxyphenyl)-3-(oxidanylmethylidene)-4H-1,4-benzodiazepin-2-one Openeye Name: (3E)-7-dodecoxy-5-(4-dodecoxyphenyl)-3-(hydroxymethylene)-4H-1,4-benzodiazepin-2-one CAS Name: (3E)-7-dodecoxy-5-(4-dodecoxyphenyl)-3-(hydroxymethylidene)-4H-1,4-benzodiazepin-2-one IUPAC Name: (3E)-7-dodecoxy-5-(4-dodecoxyphenyl)-3-(hydroxymethylidene)-4H-1,4-benzodiazepin-2-one Traditional Name: (3E)-3-(hydroxymethylene)-7-lauryloxy-5-(4-lauryloxyphenyl)-4H-1,4-benzodiazepin-2-one Formula: C40H60N2O4 MolecularWeight: 632.9154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=O)C(=CO)N2)OCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=O)/C(=C\O)/N2)OCCCCCCCCCCCC

InChI

InChI=1S/C40H60N2O4/c1-3-5-7-9-11-13-15-17-19-21-29-45-34-25-23-33(24-26-34)39-36-31-35(27-28-37(36)42-40(44)38(32-43)41-39)46-30-22-20-18-16-14-12-10-8-6-4-2/h23-28,31-32,41,43H,3-22,29-30H2,1-2H3/b38-32+